Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL1984711

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1cc(Nc2nccc(Nc3cc(C4CCCCC4)no3)n2)cc(OC)c1OC

Basic Information

ChEMBL ID CHEMBL1984711
Phase Preclinical
Structure Type MOL
InChI Key OTVCFDOYUHREFJ-UHFFFAOYSA-N
51
Targets
51
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

425.5
MW (Da)
5.03
ALogP
9
HBA
2
HBD
103.6
PSA (Ų)
0.51
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27N5O4
MW 425.49
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.94

Activity Summary

Ki 51 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase Lck
CHEMBL258
Ki 8.1 8.1 7.9 1
Tyrosine-protein kinase Fyn
CHEMBL1841
Ki 7.8 7.8 15.8 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
Ki 7.6 7.6 25.1 1
Insulin receptor
CHEMBL1981
Ki 7.4 7.4 39.8 1
Protein-tyrosine kinase 2-beta
CHEMBL5469
Ki 7.4 7.4 39.8 1
Mitogen-activated protein kinase 8
CHEMBL2276
Ki 7.3 7.3 50.1 1
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
Ki 7.3 7.3 50.1 1
Vascular endothelial growth factor receptor 2
CHEMBL279
Ki 7.2 7.2 63.1 1
Tyrosine-protein kinase Blk
CHEMBL2250
Ki 7.1 7.1 79.4 1
Tyrosine-protein kinase Lyn
CHEMBL3905
Ki 7.1 7.1 79.4 1
Focal adhesion kinase 1
CHEMBL2695
Ki 7.0 7.0 100.0 1
Ephrin type-A receptor 2
CHEMBL2068
Ki 6.9 6.9 125.9 1
Tyrosine-protein kinase ITK/TSK
CHEMBL2959
Ki 6.8 6.8 158.5 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
Ki 6.7 6.7 199.5 1
Insulin-like growth factor 1 receptor
CHEMBL1957
Ki 6.7 6.7 199.5 1
Vascular endothelial growth factor receptor 1
CHEMBL1868
Ki 6.7 6.7 199.5 1
Epidermal growth factor receptor
CHEMBL203
Ki 6.4 6.4 398.1 1
Serine/threonine-protein kinase PLK4
CHEMBL3788
Ki 6.4 6.4 398.1 1
Tyrosine-protein kinase JAK2
CHEMBL2971
Ki 6.4 6.4 398.1 1
Mitogen-activated protein kinase 9
CHEMBL4179
Ki 6.3 6.3 501.2 1
STE20-like serine/threonine-protein kinase
CHEMBL4202
Ki 6.3 6.3 501.2 1
Aurora kinase A
CHEMBL4722
Ki 6.2 6.2 631.0 1
LIM domain kinase 1
CHEMBL3836
Ki 6.2 6.2 631.0 1
BDNF/NT-3 growth factors receptor
CHEMBL4898
Ki 6.0 6.0 1000.0 1
Tyrosine-protein kinase receptor UFO
CHEMBL4895
Ki 6.0 6.0 1000.0 1
Serine/threonine-protein kinase PAK 4
CHEMBL4482
Ki 6.0 6.0 1000.0 1
Interleukin-1 receptor-associated kinase 1
CHEMBL3357
Ki 5.9 5.9 1258.9 1
Glycogen synthase kinase-3 alpha
CHEMBL2850
Ki 5.9 5.9 1258.9 1
Aurora kinase B
CHEMBL2185
Ki 5.9 5.9 1258.9 1
High affinity nerve growth factor receptor
CHEMBL2815
Ki 5.8 5.8 1584.9 1
Dual specificity protein kinase CLK4
CHEMBL4203
Ki 5.7 5.7 1995.3 1
Serine/threonine-protein kinase PLK3
CHEMBL4897
Ki 5.6 5.6 2511.9 1
Serine/threonine-protein kinase TAO1
CHEMBL5261
Ki 5.6 5.6 2511.9 1
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
Ki 5.6 5.6 2511.9 1
Glycogen synthase kinase-3 beta
CHEMBL262
Ki 5.6 5.6 2511.9 1
Dual specificity protein kinase CLK2
CHEMBL4225
Ki 5.5 5.5 3162.3 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
Ki 5.5 5.5 3162.3 1
MAP/microtubule affinity-regulating kinase 3
CHEMBL5600
Ki 5.4 5.4 3981.1 1
Mitogen-activated protein kinase 12
CHEMBL4674
Ki 5.4 5.4 3981.1 1
Serine/threonine-protein kinase MARK2
CHEMBL3831
Ki 5.4 5.4 3981.1 1
Mitogen-activated protein kinase kinase kinase 20
CHEMBL3886
Ki 5.4 5.4 3981.1 1
Casein kinase II subunit alpha
CHEMBL3629
Ki 5.4 5.4 3981.1 1
Cyclin-dependent kinase 1
CHEMBL308
Ki 5.4 5.4 3981.1 1
Fibroblast growth factor receptor 1
CHEMBL3650
Ki 5.3 5.3 5011.9 1
Mitogen-activated protein kinase kinase kinase kinase 4
CHEMBL6166
Ki 5.3 5.3 5011.9 1
Serine/threonine-protein kinase Nek4
CHEMBL5819
Ki 5.3 5.3 5011.9 1
Mitogen-activated protein kinase kinase kinase kinase 5
CHEMBL4852
Ki 5.2 5.2 6309.6 1
Serine/threonine-protein kinase PAK 1
CHEMBL4600
Ki 5.2 5.2 6309.6 1
MAP kinase-interacting serine/threonine-protein kinase 2
CHEMBL4204
Ki 5.2 5.2 6309.6 1
Misshapen-like kinase 1
CHEMBL5518
Ki 5.1 5.1 7943.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase Lck Ki = 7.943 nM 8.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase Fyn Ki = 15.85 nM 7.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Macrophage colony-stimulating factor 1 receptor Ki = 25.12 nM 7.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Insulin receptor Ki = 39.81 nM 7.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Protein-tyrosine kinase 2-beta Ki = 39.81 nM 7.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Proto-oncogene tyrosine-protein kinase Src Ki = 50.12 nM 7.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mitogen-activated protein kinase 8 Ki = 50.12 nM 7.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Vascular endothelial growth factor receptor 2 Ki = 63.1 nM 7.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase Lyn Ki = 79.43 nM 7.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase Blk Ki = 79.43 nM 7.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Focal adhesion kinase 1 Ki = 100.0 nM 7.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Ephrin type-A receptor 2 Ki = 125.89 nM 6.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase ITK/TSK Ki = 158.49 nM 6.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Receptor-type tyrosine-protein kinase FLT3 Ki = 199.53 nM 6.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Vascular endothelial growth factor receptor 1 Ki = 199.53 nM 6.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Insulin-like growth factor 1 receptor Ki = 199.53 nM 6.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase PLK4 Ki = 398.11 nM 6.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Epidermal growth factor receptor Ki = 398.11 nM 6.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase JAK2 Ki = 398.11 nM 6.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mitogen-activated protein kinase 9 Ki = 501.19 nM 6.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -

Data from ChEMBL 36 via Core Engine